Geminal-based description of strong electron correlations in quantum chemistry Ghent University
All chemical processes, from those we observe (classically) in our daily lives to the most sophisticated ones observed in the laboratory, are governed by Nature’s laws acting on the underlying microscopic constituents. Whereas the fundamental concepts of quantum mechanics have been formulated more than a century ago, the description of matter from first principles remains a serious challenge for quantum chemists. This is due to the large ...